Basic information
- CAS
92625-65-5- Standard SMILES
CCC(CO)(CO)COC(=O)C(C)O- InChIKey
ZLHOYWUGHRBCIA-UHFFFAOYSA-N- Molecular formula
- C9H18O5
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.11542367
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)butyl 2-hydroxypropanoate
- IUPAC
- 2,2-bis(hydroxymethyl)butyl 2-hydroxypropanoate
Names & synonyms
2,2-Bis(hydroxymethyl)butyl 2-hydroxypropanoate92625-65-5SCHEMBL3674419DTXSID90712165
Database identifiers
- CAS
92625-65-5- PubChem CID
- 54553151
- DTXSID
DTXSID90712165
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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